Search results for "Gan"

showing 10 items of 55108 documents

The first example of cofacial bis(dipyrrins)

2016

International audience; Two series of cofacial bis(dipyrrins) were prepared and their photophysical properties as well as their bimolecular fluorescence quenching with C-60 were investigated. DFT and TDDFT computations were also performed as a modeling tool to address the nature of the fluorescence state and the possible inter-chromophore interactions. Clearly, there is no evidence for such interactions and the bimolecular quenching of fluorescence, in comparison with mono-dipyrrins, indicates that C-60-bis(dipyrrin) contacts occur from the outside of the "mouth" of the cofacial structure.

010402 general chemistryPhotochemistry01 natural sciences[ CHIM ] Chemical SciencesCatalysisTransition metalexcitation-energiesmolecular-orbital methodsorganometallic compoundsMaterials Chemistry[CHIM]Chemical Sciencessinglet energy transfersdensity-functional theoryvalence basis-setsGroup 2 organometallic chemistryQuenching (fluorescence)010405 organic chemistryChemistryGeneral ChemistryTime-dependent density functional theorytransition-metalsFluorescence0104 chemical scienceslight-harvesting systems2nd-row elementsDensity functional theoryextended basis-sets
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2,4,5-Triaryl imidazole probes for the selective chromo-fluorogenic detection of Cu(II). Prospective use of the Cu(II) complexes for the optical reco…

2019

The sensing behaviour toward metal cations and biothiols of two 2,4,5-triarylimidazole probes (3a and 3b) is tested in acetonitrile and in acetonitrile-water. In acetonitrile the two probes present charge-transfer absorption bands in the 320-350 nm interval. Among all cations tested only Cu(11) is able to induce bathochromic shifts of the absorption band in the two probes, which is reflected in marked colour changes. Colour modulations are ascribed to the formation of 1:1 Cu(II)-probe complexes in which the cation interacts with the imidazole acceptor heterocycle. Besides, the two probes present intense emission bands (at 404 and 437 nm for 3a and 3b respectively) in acetonitrile that are q…

010402 general chemistryPhotochemistryCu(II) detection01 natural sciencesCu(II) imagingInorganic ChemistryMetalchemistry.chemical_compoundBathochromic shiftMaterials ChemistryImidazolePhysical and Theoretical ChemistryAcetonitrileImidazole-based probesAqueous solutionScience & Technology010405 organic chemistryGSH imagingAcceptor0104 chemical sciences3. Good healthchemistryAbsorption bandvisual_artvisual_art.visual_art_mediumHypsochromic shiftBiothiols recognition
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Heavy enzymes and the rational redesign of protein catalysts

2019

Abstract An unsolved mystery in biology concerns the link between enzyme catalysis and protein motions. Comparison between isotopically labelled “heavy” dihydrofolate reductases and their natural‐abundance counterparts has suggested that the coupling of protein motions to the chemistry of the catalysed reaction is minimised in the case of hydride transfer. In alcohol dehydrogenases, unnatural, bulky substrates that induce additional electrostatic rearrangements of the active site enhance coupled motions. This finding could provide a new route to engineering enzymes with altered substrate specificity, because amino acid residues responsible for dynamic coupling with a given substrate present…

010402 general chemistryProtein Engineering01 natural sciencesBiochemistryCatalysisEnzyme catalysisisotope effectsCatalytic DomainDihydrofolate reductaseMolecular BiologyAlcohol dehydrogenasechemistry.chemical_classificationalcohol dehydrogenasesCarbon Isotopesdihydrofolate reductasesbiologyBacteriaNitrogen Isotopes010405 organic chemistryConceptOrganic ChemistryAlcohol DehydrogenaseActive siteSubstrate (chemistry)Protein engineeringDeuteriumCombinatorial chemistrymolecular dynamics0104 chemical sciencesKineticsTetrahydrofolate Dehydrogenaseenzyme engineeringEnzymechemistrybiology.proteinBiocatalysisMolecular MedicineConcepts
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9,10-Phenanthrenedione as Visible-Light Photoredox Catalyst: A Green Methodology for the Functionalization of 3,4-Dihydro-1,4-Benzoxazin-2- Ones thro…

2018

A visible-light photoredox functionalization of 3,4-dihydro-1,4-benzoxazin-2-ones through a Friedel-Crafts reaction with indoles using an inexpensive organophotoredox catalyst is described. The reaction uses a dual catalytic system that is formed by a photocatalyst simple and cheap, 9,10-phenanthrenedione, and a Lewis acid, Zn(OTf)2. 5W white LEDs are used as visible-light source and oxygen from air as a terminal oxidant, obtaining the corresponding products with good yields. The reaction can be extended to other electron-rich arenes. Our methodology represents one of the most valuable and sustainable approach for the functionalization of 3,4-dihydro-1,4-benzoxazin-2-ones, as compared to th…

010402 general chemistrylcsh:Chemical technology01 natural sciencesCatalysisCatalysislcsh:Chemistrychemistry.chemical_compoundCatàlisiTryptophollcsh:TP1-1185Lewis acids and basesorganic_chemistryPhysical and Theoretical ChemistryFriedel-Crafts reactionFriedel–Crafts reaction010405 organic chemistryindolesCombinatorial chemistry0104 chemical scienceschemistrylcsh:QD1-999visible-light photocatalysis14-benzoxazin-2-onesPhotocatalysisSurface modificationorganophotoredox catalysisQuímica orgànicaDerivative (chemistry)Visible spectrum
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Lanostanoids from Fungi as Potential Medicinal Agents

2015

010404 medicinal & biomolecular chemistry010405 organic chemistrybusiness.industryMedicinebusiness01 natural sciences0104 chemical sciences
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El pensamiento espontáneo docente sobre la ciencia y su enseñanza

2018

<span>En las dos últimas décadas la investigación en didáctica de las ciencias ha centrado su atención en el aprendizaje y, en particular, se ha caracterizado por haber estudiado en profundidad el conocimiento inicial de los estudiantes en muy diversos dominios de las ciencias. Desde hace pocos años el énfasis está derivado -y cada vez con mayor interés- hacia el estudio de la enseñanza y, en particular, hacia el de su principal artífice: el profesorado.</span>

010405 organic chemistry05 social sciences050301 educationGeneral Chemistry0503 education01 natural sciences0104 chemical sciencesEducationEducación Química
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Sostenibilidad y laboratorios escolares

2018

<span>Actualmente no es ninguna exageración afirmar que estamos viviendo una situación de verdadera emergencia planetaria, marcada por toda una serie de graves problemas estrechamente relacionados entre sí, tales como: superpoblación, contaminación, agotamiento de recursos naturales, cambio climático, pérdida de biodiversidad, lluvia ácida y destrucción de la capa de ozono. Dichos problemas, lejos de disminuir, son cada vez más intensos y extienden su impacto sobre todo el planeta. Así, en cuanto al calentamiento global, se afirma que la gravedad es tal, que si no se pone freno antes de una decena de años, después será ya demasiado tarde (Gore, 2007).</span>

010405 organic chemistry05 social sciences050301 educationGeneral Chemistry0503 education01 natural sciences0104 chemical sciencesEducationEducación Química
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La motivación de los estudiantes y la enseñanza de la Química. Una cuestión controvertida

2018

<span>El tema de la motivación de los estudiantes hacia el aprendizaje de cualquier materia científica constituye una seria preocupación para el profesorado. En primer lugar, porque los docentes constatan una falta general de interés de los alumnos hacia las disciplinas científicas como la Física y la Química. Esta percepción ha sido corroborada por los propios estudiantes en diferentes trabajos de investigación. En efecto, los propios estudiantes señalan como principales causantes de su actitud desfavorable, de su desinterés hacia la ciencia y su aprendizaje, a la enseñanza de una ciencia descontextualizada...</span>

010405 organic chemistry05 social sciences050301 educationGeneral Chemistry0503 education01 natural sciences0104 chemical sciencesEducationEducación Química
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Dificultades para la incorporación a la enseñanza de los hallazgos de la investigación e innovación en didáctica de las ciencias

2018

<span>La importancia social concedida, desde hace ya décadas, a la educación científica (Dewey 1916; Langevin, 1926) ha ido creciendo y ha experimentado, últimamente, un cambio cualitativo. En efecto, la tradicional importancia concedida a las inversiones en educación científica y tecnológica, para hacer posible el desarrollo futuro de un país, ha dejado paso al convencimiento de que la alfabetización científica de todos los ciudadanos y ciudadanas ha pasado a constituir una exigencia urgente, un requisito también para el desarrollo inmediato.</span>

010405 organic chemistry05 social sciences050301 educationGeneral Chemistry0503 education01 natural sciences0104 chemical sciencesEducationEducación Química
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Elucidating the Influence of the Activation Energy on Reaction Rates by Simulations Based on a Simple Particle Model

2020

An application for visualizing the dynamic properties of an equimolar binary mixture of isotropic reactive particles is presented. By introducing a user selectable choice for the activation energy, the application is useful to demonstrate qualitatively that the reaction rate depends on the above choice and on temperature. The application is based on a 2D realistic dynamic model where atoms move because of their thermal energies and the trajectories are determined by solving numerically Newton’s laws according to a Molecular Dynamics (MD) scheme. Collisions are monitored as time progresses, and every time the collision energy is larger than the selected activation energy, a reactive event oc…

010405 organic chemistry05 social sciencesIsotropyKinetics050301 educationBinary numberGeneral ChemistryActivation energy01 natural sciences0104 chemical sciencesEducationReaction rateHigh School/Introductory Chemistry First-Year Undergraduate/General Physical Chemistry Chemoinformatics Computer-Based Learning Kinetics Kinetic-Molecular TheorySimple (abstract algebra)Chemical physicsMolecule0503 educationEnergy (signal processing)Settore CHIM/02 - Chimica Fisica
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